In situ ultra-fast heat deposition does not perturb the structure of serum albumin.
Otávio A ChavesCatarina S H JesusElsa S HenriquesRui M M BritoCarlos SerpaPublished in: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology (2018)
MnTPPS is a metallic water soluble porphyrin with high potential to be used as a contrast agent in photoacoustic tomography. In order to fully understand the interaction between MnTPPS and serum albumin and to investigate the effect of the light induced fast in situ heat deposition by MnTPPS in the protein, we performed several experimental studies using fluorescence and circular dichroism spectroscopies, as well as photoacoustic calorimetry. To identify the possible binding site(s) of the metalloporphyrin in serum albumin and to help interpret the spectroscopic results, a molecular docking exercise was also carried out. The fluorescence data indicate a 1 : 1 stoichiometry for the complex BSA : MnTPPS. The molecular docking results suggest one binding site at the subdomain IB of albumin, where Trp-134 is found, as the main binding site for MnTPPS. The CD data indicate no significant conformational changes of the BSA secondary structure upon MnTPPS binding and even after several minutes of laser excitation of MnTPPS. TR-PAC results show that the in situ heat deposition from MnTPPS does not cause any significant transient conformational change to the BSA structure. In conclusion, this work demonstrates that MnTPPS, in addition to the necessary physical and chemical properties to be used as a contrast agent in photoacoustic tomography, can be effectively carried by albumin and that in situ heat release following light absorption does not cause any significant damage to the protein structure.
Keyphrases
- molecular docking
- molecular dynamics simulations
- single molecule
- heat stress
- water soluble
- energy transfer
- magnetic resonance
- electronic health record
- physical activity
- fluorescence imaging
- photodynamic therapy
- big data
- protein protein
- oxidative stress
- high intensity
- binding protein
- machine learning
- magnetic resonance imaging
- small molecule
- computed tomography
- blood brain barrier
- nk cells
- case control
- brain injury
- high speed